CID 56843524

92999-26-3

Structural Information

Molecular Formula
C26H29NO6
SMILES
CC[C@@]1(C[C@@H](C2=CC3=C(C=C2C1)C(=O)C4=CC=CC=C4C3=O)O[C@H]5CO[C@@H]([C@@H]([C@@H]5N)O)C)O
InChI
InChI=1S/C26H29NO6/c1-3-26(31)10-14-8-18-19(25(30)16-7-5-4-6-15(16)24(18)29)9-17(14)20(11-26)33-21-12-32-13(2)23(28)22(21)27/h4-9,13,20-23,28,31H,3,10-12,27H2,1-2H3/t13-,20+,21+,22-,23+,26-/m1/s1
InChIKey
PXADUWAXUVNTFS-GHXUEVRRSA-N
Compound name
(7S,9R)-7-[(3R,4S,5R,6R)-4-amino-5-hydroxy-6-methyloxan-3-yl]oxy-9-ethyl-9-hydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.1995 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.20678 208.5
[M+Na]+ 474.18872 214.5
[M-H]- 450.19222 214.2
[M+NH4]+ 469.23332 219.0
[M+K]+ 490.16266 210.8
[M+H-H2O]+ 434.19676 198.8
[M+HCOO]- 496.19770 215.9
[M+CH3COO]- 510.21335 215.2
[M+Na-2H]- 472.17417 208.3
[M]+ 451.19895 205.8
[M]- 451.20005 205.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.